(3R)-N-acetyl-2,3,4-trihydroxy-5-trityloxypentanamide

C26H27NO6 — CID 130195980

IUPAC(3R)-N-acetyl-2,3,4-trihydroxy-5-trityloxypentanamide
SMILESCC(=O)NC(=O)C(O)[C@H](O)C(O)COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H27NO6/c1-18(28)27-25(32)24(31)23(30)22(29)17-33-26(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,22-24,29-31H,17H2,1H3,(H,27,28,32)/t22?,23-,24?/m1/s1
InChIKeySMERNGYBODPJQO-NSQNTRMNSA-N
MW449.50 g/mol
LogP1.74
Rot. Bonds9

About (3R)-N-acetyl-2,3,4-trihydroxy-5-trityloxypentanamide

(3R)-N-acetyl-2,3,4-trihydroxy-5-trityloxypentanamide (PubChem CID 130195980) has the molecular formula C26H27NO6 and a molecular weight of 449.50 g/mol. Its IUPAC name is (3R)-N-acetyl-2,3,4-trihydroxy-5-trityloxypentanamide.

Molecular Properties

Compound Name(3R)-N-acetyl-2,3,4-trihydroxy-5-trityloxypentanamide
PubChem CID130195980
Molecular FormulaC26H27NO6
Molecular Weight449.50 g/mol
Exact Mass449.18
IUPAC Name(3R)-N-acetyl-2,3,4-trihydroxy-5-trityloxypentanamide
SMILESCC(=O)NC(=O)C(O)[C@H](O)C(O)COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H27NO6/c1-18(28)27-25(32)24(31)23(30)22(29)17-33-26(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,22-24,29-31H,17H2,1H3,(H,27,28,32)/t22?,23-,24?/m1/s1
InChIKeySMERNGYBODPJQO-NSQNTRMNSA-N
XLogP1.74
TPSA116.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.50
LogP ≤ 51.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-acetyl-2,3,4-trihydroxy-5-trityloxypentanamide?
The IUPAC name of (3R)-N-acetyl-2,3,4-trihydroxy-5-trityloxypentanamide (CID 130195980) is (3R)-N-acetyl-2,3,4-trihydroxy-5-trityloxypentanamide.
What is the SMILES notation for (3R)-N-acetyl-2,3,4-trihydroxy-5-trityloxypentanamide?
The canonical SMILES for (3R)-N-acetyl-2,3,4-trihydroxy-5-trityloxypentanamide is CC(=O)NC(=O)C(O)[C@H](O)C(O)COC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3R)-N-acetyl-2,3,4-trihydroxy-5-trityloxypentanamide?
The InChIKey is SMERNGYBODPJQO-NSQNTRMNSA-N. The full InChI is InChI=1S/C26H27NO6/c1-18(28)27-25(32)24(31)23(30)22(29)17-33-26(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,22-24,29-31H,17H2,1H3,(H,27,28,32)/t22?,23-,24?/m1/s1.
What are the key properties of (3R)-N-acetyl-2,3,4-trihydroxy-5-trityloxypentanamide?
(3R)-N-acetyl-2,3,4-trihydroxy-5-trityloxypentanamide has a molecular weight of 449.50 g/mol, XLogP of 1.74, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-acetyl-2,3,4-trihydroxy-5-trityloxypentanamide is sourced from PubChem (CID 130195980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).